CID 15394713

Chebi:173933

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C(CC(CO)O)O
InChI
InChI=1S/C15H16N2O3/c18-8-9(19)7-13(20)15-14-11(5-6-16-15)10-3-1-2-4-12(10)17-14/h1-6,9,13,17-20H,7-8H2
InChIKey
YPOORAFYDFLOBZ-UHFFFAOYSA-N
Compound name
4-(9H-pyrido[3,4-b]indol-1-yl)butane-1,2,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 161.7
[M+Na]+ 295.10532 173.2
[M+NH4]+ 290.14992 168.2
[M+K]+ 311.07926 170.1
[M-H]- 271.10882 161.0
[M+Na-2H]- 293.09077 164.9
[M]+ 272.11555 162.9
[M]- 272.11665 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.